SCHEMBL1921580

SCHEMBL1921580

c1ccc(Nc2cccc3ccccc23)c(Nc2cccc3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.71
ALDH1A1 P00352 4/20 0.71
TSHR P16473 3/20 0.71
CDC25B P30305 2/20 0.71
CYP3A4 P08684 2/20 0.71
TP53 P04637 1/20 0.71
HPGD P15428 1/20 0.71
ALOX15 P16050 1/20 0.71
ATM Q13315 1/20 0.71
FADS1 O60427 1/20 0.57
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 4/20 0.54
GAA P10253 3/20 0.54
EPHX2 P34913 1/20 0.53
MAPT P10636 3/20 0.52
RECQL P46063 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL49213 0.97 HSD17B10 (0.74) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
Ammonia Solution, Strong SCHEMBL11586421 0.95 HSD17B10 (0.71) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL8500339 0.95 HSD17B10 (0.71) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL1755258 0.89 ALDH1A1 (0.59) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
Diphenylamine SCHEMBL8023920 0.86 HSD17B10 (0.88) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL22189184 0.86 HSD17B10 (0.61) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL21645599 0.86 HPRT1 (0.61) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL29619354 0.85 HSD17B10 (0.87) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL29444854 0.85 HSD17B10 (0.65) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL12302114 0.85 HSD17B10 (0.65) HSD17B10ALDH1A1TSHRCDC25BCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809566-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-08-19 US disclosed
US-8809566-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-08-19 US disclosed
EP-1528074-B1 NOVEL TRIARYLAMINE POLYMER, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF TOSOH CORP (JP) 2014-03-26 EP disclosed
EP-2327739-A1 Novel triarylamine polymer, process for its production and its use TOSOH CORPORATION (JP) 2011-06-01 EP disclosed
US-20110105778-A1 Materials for Organic Electroluminescence Devices MERCK PATENT GMBH (DE) 2011-05-05 US disclosed
US-20110105778-A1 Materials for Organic Electroluminescence Devices MERCK PATENT GMBH (DE) 2011-05-05 US disclosed
WO-2010054729-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-05-20 WO disclosed
US-7608680-B2 Triarylamine polymer, process for producing the same, and use thereof TOSOH CORPORATION (JP) 2009-10-27 US disclosed
US-20060241278-A1 Novel triarylamine polymer, process for producing the same, and use thereof TOSOH CORPORATION (JP) 2006-10-26 US disclosed
US-20060017040-A9 Novel triarylamine polymer, process for producing the same, and use thereof SUZUKI TAKAO 2006-01-26 US disclosed
EP-1528074-A1 NOVEL TRIARYLAMINE POLYMER, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Tosoh Corporation (JP) 2005-05-04 EP disclosed
US-20040262574-A1 Novel triarylamine polymer, process for producing the same, and use thereof TOSOH CORPORATION (JP) 2004-12-30 US disclosed
US-20020035848-A1 Refrigerant and refrigerating device SANYO ELECTRIC CO., LTD. (JP) 2002-03-28 US disclosed
US-6034206-A POLYANILINES; HEAT, CHEMICAL AND SOLVENT RESISTANCE TOSOH CORPORATION (JP) 2000-03-07 US disclosed
US-5344861-A Polymer blend with organic acid, phenylamine, phenylenediamine and acid acceptor with vulcanization agent TOSOH CORPORATION (JP) 1994-09-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105778-A1 Materials for Organic Electroluminescence Devices L1CAM, EPCAM, GPX1 HSD17B10 2860/4885ALDH1A1 24/4885TSHR 4809/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.